REMARK  Name = BDB061860
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.864  -0.272   0.118  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1       -1.456  -0.721  -0.055  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -1.174  -2.093  -0.096  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        0.133  -2.555  -0.246  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        1.181  -1.641  -0.371  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        0.938  -0.264  -0.366  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -2.218  -3.019  -0.009  0.00  0.00    -0.322 N 
ATOM      8  H   LIG    1       -2.033  -4.012  -0.055  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -3.530  -2.660   0.097  0.00  0.00    +0.251 A 
ATOM     10  O   LIG    1       -4.433  -3.489   0.147  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1       -0.386   0.178  -0.206  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -3.823  -1.213   0.164  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -2.892   1.748   1.527  0.00  0.00    +0.129 C 
ATOM     14  N   LIG    1       -3.107   1.108   0.219  0.00  0.00    -0.335 N 
ATOM     15  C   LIG    1       -4.235   1.700  -0.512  0.00  0.00    +0.129 C 
ENDBRANCH   1  14
BRANCH   6  16
ATOM     16  N   LIG    1        1.963   0.698  -0.464  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1        1.639   1.570  -0.879  0.00  0.00    +0.152 HD
BRANCH  16  18
ATOM     18  C   LIG    1        3.340   0.639  -0.154  0.00  0.00    +0.053 A 
ATOM     19  C   LIG    1        4.283   1.408  -0.861  0.00  0.00    +0.110 A 
ATOM     20  C   LIG    1        5.625   1.266  -0.530  0.00  0.00    +0.148 A 
ATOM     21 CL   LIG    1        6.887   2.144  -1.310  0.00  0.00    -0.061 Cl
ATOM     22  N   LIG    1        6.092   0.435   0.429  0.00  0.00    -0.242 NA
ATOM     23  C   LIG    1        5.177  -0.292   1.094  0.00  0.00    +0.114 A 
ATOM     24  C   LIG    1        3.817  -0.228   0.839  0.00  0.00    +0.044 A 
BRANCH  19  25
ATOM     25  C   LIG    1        3.877   2.311  -1.890  0.00  0.00    +0.104 C 
ATOM     26  N   LIG    1        3.494   3.044  -2.704  0.00  0.00    -0.191 NA
ENDBRANCH  19  25
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 4